==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 17-NOV-04 1Y15 . COMPND 2 MOLECULE: MAJOR PRION PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.D.GOSSERT,S.BONJOUR,D.A.LYSEK,F.FIORITO,K.WUTHRICH . 112 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 45.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 121 A V 0 0 133 0, 0.0 5,-0.0 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 147.5 4.2 -8.7 12.3 2 122 A V - 0 0 50 1,-0.1 3,-0.1 67,-0.0 67,-0.0 0.043 360.0 -83.6 -84.5 25.9 2.5 -10.6 9.4 3 123 A G S S+ 0 0 82 1,-0.2 -1,-0.1 2,-0.1 2,-0.0 0.652 124.3 29.6 74.5 15.6 4.3 -13.8 10.4 4 124 A G S S+ 0 0 56 1,-0.1 -1,-0.2 0, 0.0 3,-0.1 -0.013 70.3 135.3-153.9 -92.1 7.3 -12.7 8.3 5 125 A L - 0 0 22 1,-0.2 2,-1.7 -3,-0.1 -2,-0.1 0.789 53.4-130.6 33.6 105.9 8.1 -8.9 7.9 6 126 A G S S- 0 0 68 1,-0.2 -1,-0.2 -5,-0.0 0, 0.0 -0.056 78.9 -53.0 -75.8 35.5 11.8 -7.9 8.4 7 127 A G S S- 0 0 61 -2,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.528 77.5-172.1 114.6 9.2 10.9 -5.1 10.8 8 128 A Y - 0 0 41 1,-0.1 2,-0.3 34,-0.1 36,-0.2 0.027 11.2-144.0 -50.3 134.3 8.3 -3.1 8.6 9 129 A M B -A 43 0A 100 34,-1.7 34,-2.9 1,-0.1 -1,-0.1 -0.723 13.5-122.8 -98.5 144.3 7.2 0.2 10.1 10 130 A L - 0 0 67 -2,-0.3 32,-0.2 32,-0.2 -1,-0.1 -0.317 30.7-112.3 -76.2 169.6 3.7 1.5 9.7 11 131 A G - 0 0 9 30,-0.3 -1,-0.1 -2,-0.1 29,-0.1 0.808 23.4-110.5 -74.2-118.7 3.1 4.9 8.0 12 132 A S - 0 0 77 27,-0.2 2,-0.2 2,-0.0 28,-0.1 0.362 64.1 -66.3-146.4 -61.0 1.8 8.1 9.6 13 133 A A + 0 0 60 2,-0.0 2,-0.3 28,-0.0 27,-0.2 -0.345 51.8 172.4 154.6 127.9 -1.7 8.9 8.4 14 134 A M - 0 0 38 25,-1.8 2,-0.1 -2,-0.2 79,-0.1 -0.905 22.1-126.7-140.1 173.1 -3.0 9.9 4.9 15 135 A S - 0 0 74 -2,-0.3 -2,-0.0 1,-0.1 -1,-0.0 -0.205 41.7 -66.3-103.3-173.9 -6.4 10.3 3.5 16 136 A R - 0 0 170 -2,-0.1 -1,-0.1 15,-0.0 19,-0.0 -0.785 54.2-157.9 -71.1 106.9 -8.5 9.1 0.6 17 137 A P - 0 0 41 0, 0.0 2,-0.6 0, 0.0 72,-0.1 -0.065 26.5-105.2 -65.9-175.1 -6.8 10.6 -2.5 18 138 A M - 0 0 83 71,-0.0 9,-0.1 2,-0.0 -2,-0.0 -0.894 42.8-156.5-118.2 93.3 -8.8 11.0 -5.7 19 139 A I - 0 0 2 -2,-0.6 2,-0.3 8,-0.1 3,-0.1 -0.152 13.8-138.7 -66.7 167.0 -7.5 8.3 -8.0 20 140 A H + 0 0 158 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.707 30.9 164.1-129.2 70.9 -7.7 8.3 -11.8 21 141 A F - 0 0 24 -2,-0.3 -1,-0.1 2,-0.2 3,-0.1 0.729 47.0-129.9 -67.8 -17.7 -8.7 4.7 -12.7 22 142 A G S S+ 0 0 74 1,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.561 78.7 98.4 75.7 10.7 -9.7 6.0 -16.2 23 143 A N S > S- 0 0 77 1,-0.1 4,-2.1 0, 0.0 3,-0.4 -0.999 72.0-138.3-122.6 139.7 -13.1 4.3 -16.1 24 144 A D H > S+ 0 0 128 -2,-0.4 4,-1.3 1,-0.3 -1,-0.1 0.912 103.7 45.9 -58.3 -49.6 -16.1 6.5 -15.2 25 145 A W H > S+ 0 0 120 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.770 108.6 56.6 -64.4 -32.8 -17.7 3.8 -13.0 26 146 A E H > S+ 0 0 37 -3,-0.4 4,-2.9 2,-0.2 5,-0.3 0.954 105.6 50.4 -68.5 -46.3 -14.4 3.0 -11.3 27 147 A D H X S+ 0 0 35 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.817 116.1 44.1 -58.4 -33.2 -14.0 6.7 -10.2 28 148 A R H X S+ 0 0 119 -4,-1.3 4,-1.2 -5,-0.2 -2,-0.2 0.947 112.8 49.2 -71.2 -54.5 -17.6 6.4 -8.9 29 149 A Y H >X S+ 0 0 54 -4,-3.2 4,-2.8 1,-0.2 3,-0.7 0.916 114.0 45.8 -55.5 -50.2 -17.2 3.0 -7.1 30 150 A Y H 3X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.915 104.5 62.7 -57.3 -47.8 -14.0 4.1 -5.4 31 151 A R H 3< S+ 0 0 141 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.778 115.9 32.3 -53.3 -29.1 -15.6 7.5 -4.4 32 152 A E H X< S+ 0 0 137 -4,-1.2 3,-0.6 -3,-0.7 -2,-0.2 0.904 125.9 40.0 -87.0 -51.3 -18.1 5.5 -2.3 33 153 A N H >< S+ 0 0 20 -4,-2.8 3,-2.5 1,-0.2 4,-0.3 0.461 77.1 108.3 -92.2 0.0 -16.0 2.5 -1.2 34 154 A M G >< + 0 0 25 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.642 67.2 72.5 -44.4 -27.3 -12.7 4.2 -0.5 35 155 A Y G < S+ 0 0 158 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.724 83.6 68.8 -66.8 -23.6 -13.3 3.6 3.3 36 156 A R G < S+ 0 0 68 -3,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.745 88.3 81.5 -64.1 -28.2 -12.5 -0.1 2.9 37 157 A Y S < S- 0 0 11 -3,-1.1 46,-0.0 -4,-0.3 -21,-0.0 -0.352 93.4 -89.5 -83.2 162.5 -8.8 0.7 2.2 38 158 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.288 15.6-145.0 -75.2 159.1 -6.2 1.4 4.9 39 159 A N S S+ 0 0 108 -4,-0.1 -25,-1.8 -23,-0.0 2,-0.3 0.340 87.4 37.7-100.2 2.8 -5.5 4.9 6.3 40 160 A Q S S- 0 0 60 -27,-0.2 2,-0.3 -29,-0.1 54,-0.1 -0.943 71.3-143.4-143.3 165.5 -1.8 3.9 6.6 41 161 A V - 0 0 0 -2,-0.3 2,-0.5 52,-0.1 -30,-0.3 -0.962 19.3-121.8-133.1 144.7 0.8 1.9 4.6 42 162 A Y + 0 0 46 17,-0.4 21,-0.3 -2,-0.3 -32,-0.2 -0.807 41.3 166.2 -88.2 129.4 3.7 -0.3 5.8 43 163 A Y B -A 9 0A 19 -34,-2.9 -34,-1.7 -2,-0.5 13,-0.1 -0.579 34.9-110.7-127.8-176.3 7.2 0.7 4.6 44 164 A R - 0 0 70 -36,-0.2 2,-0.1 -2,-0.2 -36,-0.1 -0.886 45.8 -94.5-113.1 151.4 10.9 0.1 5.2 45 165 A P - 0 0 65 0, 0.0 57,-0.1 0, 0.0 -37,-0.0 -0.422 25.4-128.0 -68.0 146.1 13.2 2.8 6.8 46 166 A V S S+ 0 0 18 55,-0.2 2,-1.4 -2,-0.1 4,-0.2 0.477 74.5 123.0 -66.0 -8.2 15.1 5.0 4.2 47 167 A D S S- 0 0 120 2,-0.1 -1,-0.1 1,-0.0 0, 0.0 -0.475 96.9 -20.7 -66.7 84.8 18.2 4.0 6.2 48 168 A Q S S+ 0 0 140 -2,-1.4 -1,-0.0 0, 0.0 0, 0.0 0.541 95.4 127.6 61.6 137.0 19.8 2.6 3.1 49 169 A Y - 0 0 45 -3,-0.0 -2,-0.1 -5,-0.0 -3,-0.1 0.006 36.7-159.6-160.7 -61.6 17.4 1.7 0.3 50 170 A S + 0 0 107 -4,-0.2 4,-0.1 3,-0.0 5,-0.0 0.614 56.7 51.4 60.5 138.7 17.8 3.0 -3.2 51 171 A N > - 0 0 84 3,-0.1 4,-1.6 2,-0.1 3,-0.3 0.914 57.0-145.9 82.9 101.6 15.0 3.2 -5.8 52 172 A Q H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.847 98.2 68.4 -57.4 -31.7 11.6 4.8 -5.0 53 173 A N H > S+ 0 0 114 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.937 105.2 37.7 -51.4 -57.8 10.0 2.1 -7.3 54 174 A T H > S+ 0 0 67 -3,-0.3 4,-2.5 2,-0.2 5,-0.4 0.786 112.7 57.6 -70.3 -31.6 10.8 -0.7 -4.9 55 175 A F H X S+ 0 0 3 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.975 115.3 37.8 -61.8 -50.9 10.1 1.4 -1.8 56 176 A V H X S+ 0 0 9 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.945 121.3 43.6 -64.0 -52.0 6.6 2.1 -3.1 57 177 A H H X S+ 0 0 86 -4,-3.0 4,-2.7 -5,-0.3 -3,-0.2 0.847 115.0 46.6 -74.5 -30.9 5.9 -1.4 -4.6 58 178 A D H X S+ 0 0 43 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.867 115.4 49.9 -73.3 -32.3 7.4 -3.4 -1.6 59 179 A a H X S+ 0 0 2 -4,-1.7 4,-3.0 -5,-0.4 -17,-0.4 0.961 113.3 44.3 -60.9 -53.8 5.3 -1.1 0.6 60 180 A V H X S+ 0 0 5 -4,-3.1 4,-2.7 2,-0.2 5,-0.2 0.916 113.3 53.4 -59.1 -44.0 2.2 -1.7 -1.6 61 181 A N H X S+ 0 0 80 -4,-2.7 4,-0.6 1,-0.2 -2,-0.2 0.946 115.5 37.4 -53.3 -59.4 3.0 -5.5 -1.6 62 182 A I H >X S+ 0 0 16 -4,-2.5 4,-0.6 2,-0.2 3,-0.5 0.864 115.5 53.0 -66.8 -37.8 3.2 -5.7 2.2 63 183 A T H >X S+ 0 0 2 -4,-3.0 4,-3.0 -21,-0.3 3,-1.3 0.944 109.8 47.0 -70.8 -41.5 0.4 -3.4 2.9 64 184 A I H 3< S+ 0 0 24 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.583 115.1 49.9 -72.3 -7.3 -2.1 -5.3 0.6 65 185 A K H << S+ 0 0 106 -4,-0.6 4,-0.4 -3,-0.5 -1,-0.3 0.465 116.6 41.7-100.6 -6.0 -0.7 -8.4 2.4 66 186 A Q H > S+ 0 0 28 -5,-0.4 3,-3.3 3,-0.2 4,-3.1 0.915 116.3 37.0 -66.8 -81.9 -6.0 -8.2 3.9 69 189 A V H 3> S+ 0 0 71 -4,-0.4 4,-0.8 1,-0.3 -2,-0.2 0.752 113.9 57.0 -42.2 -45.7 -4.8 -10.5 6.7 70 190 A T H 3< S+ 0 0 51 -4,-3.4 -1,-0.3 1,-0.2 -3,-0.2 0.690 127.9 18.3 -56.7 -23.9 -5.6 -8.0 9.4 71 191 A T H X4>S+ 0 0 28 -3,-3.3 3,-2.4 -5,-0.2 5,-1.9 0.696 116.9 64.4-123.7 -46.2 -9.3 -8.0 8.2 72 192 A T H 3<5S+ 0 0 63 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.472 103.2 55.5 -61.1 -1.5 -9.5 -11.2 6.0 73 193 A T T 3<5S+ 0 0 111 -4,-0.8 -1,-0.3 -5,-0.4 -3,-0.1 0.365 103.8 53.3-107.9 -4.7 -8.9 -12.9 9.5 74 194 A K T < 5S- 0 0 175 -3,-2.4 -2,-0.2 2,-0.1 3,-0.1 0.257 128.6 -92.3-110.1 3.1 -11.9 -11.2 11.1 75 195 A G T 5S+ 0 0 71 1,-0.4 2,-0.2 -4,-0.3 -3,-0.2 0.544 83.6 131.9 92.0 11.3 -14.3 -12.3 8.3 76 196 A E < - 0 0 89 -5,-1.9 -1,-0.4 -8,-0.1 2,-0.3 -0.589 41.6-156.5 -75.5 160.1 -14.1 -9.4 5.9 77 197 A N - 0 0 130 -2,-0.2 2,-0.1 -3,-0.1 -9,-0.0 -0.755 6.5-144.0-144.9 91.4 -13.6 -10.5 2.3 78 198 A F - 0 0 22 -2,-0.3 2,-0.0 1,-0.1 -10,-0.0 -0.303 20.6-127.7 -51.0 125.5 -12.0 -8.0 -0.1 79 199 A T > - 0 0 55 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.299 20.8-112.9 -65.1 162.5 -13.4 -8.3 -3.6 80 200 A E H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.943 118.9 52.6 -60.4 -48.2 -11.1 -8.7 -6.6 81 201 A T H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 108.3 49.3 -57.0 -47.4 -12.0 -5.2 -7.8 82 202 A D H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.943 108.7 54.1 -58.0 -48.9 -11.3 -3.6 -4.4 83 203 A V H X S+ 0 0 47 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.870 112.6 42.4 -54.9 -43.2 -7.8 -5.3 -4.3 84 204 A K H X S+ 0 0 112 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.873 115.9 48.5 -75.0 -35.7 -6.8 -3.9 -7.8 85 205 A M H >X S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.2 3,-0.5 0.913 105.5 58.5 -64.2 -42.7 -8.2 -0.5 -7.0 86 206 A M H 3X S+ 0 0 1 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.775 96.1 65.5 -59.6 -28.9 -6.4 -0.5 -3.6 87 207 A E H 3X S+ 0 0 86 -4,-0.9 4,-2.5 -5,-0.2 -1,-0.2 0.953 103.7 43.6 -57.0 -50.9 -3.2 -0.9 -5.6 88 208 A R H X S+ 0 0 8 -4,-2.5 4,-2.4 -5,-0.2 3,-0.7 0.990 110.6 45.5 -60.0 -64.4 -0.1 6.9 -0.7 94 214 A a H 3X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.3 -2,-0.2 0.750 105.6 61.8 -64.3 -21.8 3.3 5.3 -0.4 95 215 A V H 3X S+ 0 0 43 -4,-2.1 4,-1.3 2,-0.2 -1,-0.3 0.962 112.0 38.1 -54.0 -57.3 4.6 7.8 -3.0 96 216 A T H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 3,-0.9 0.988 104.9 49.2 -62.1 -53.7 4.9 8.4 2.4 98 218 A Y H 3X S+ 0 0 46 -4,-2.9 4,-2.8 1,-0.3 5,-0.4 0.809 102.9 62.3 -56.0 -31.5 8.4 8.1 0.9 99 219 A Q H 3X S+ 0 0 91 -4,-1.3 4,-2.2 2,-0.2 -1,-0.3 0.943 110.6 40.4 -60.7 -40.5 8.4 11.9 0.5 100 220 A K H S+ 0 0 125 -4,-1.6 4,-2.8 -3,-0.9 5,-0.6 0.982 114.6 50.3 -62.2 -59.9 8.1 11.9 4.3 101 221 A E H <5S+ 0 0 27 -4,-2.4 4,-0.3 1,-0.2 -55,-0.2 0.803 119.3 38.7 -60.2 -29.8 10.6 9.0 4.9 102 222 A S H X5S+ 0 0 16 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.913 124.3 37.9 -75.4 -50.8 13.2 10.7 2.7 103 223 A Q H X>S+ 0 0 135 -4,-2.2 4,-2.8 -5,-0.4 5,-0.6 0.960 113.1 52.6 -74.9 -48.1 12.6 14.3 3.7 104 224 A A H X5S+ 0 0 65 -4,-2.8 4,-0.6 -5,-0.3 -1,-0.2 0.765 117.5 44.6 -55.0 -28.6 11.9 13.7 7.5 105 225 A Y H >X5S+ 0 0 111 -4,-2.8 3,-1.6 -5,-0.2 4,-0.6 0.749 113.4 55.3-103.0 -40.1 15.8 17.5 7.0 108 228 A G H 3<